4-[4-[[(5-nitrofuran-2-yl)carbonylamino]methyl]phenyl]-N-propyl-piperazine-1-carboxamide

Systemtic Name: 4-[4-[[(5-nitrofuran-2-yl)carbonylamino]methyl]phenyl]-N-propyl-piperazine-1-carboxamide Openeye Name: 4-[4-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]-N-propyl-piperazine-1-carboxamide CAS Name: 4-[4-[[[(5-nitro-2-furanyl)-oxomethyl]amino]methyl]phenyl]-N-propyl-1-piperazinecarboxamide IUPAC Name: 4-[4-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]-N-propylpiperazine-1-carboxamide Traditional Name: 4-[4-[[(5-nitro-2-furoyl)amino]methyl]phenyl]-N-propyl-piperazine-1-carboxamide Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)N1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O5/c1-2-9-21-20(27)24-12-10-23(11-13-24)16-5-3-15(4-6-16)14-22-19(26)17-7-8-18(30-17)25(28)29/h3-8H,2,9-14H2,1H3,(H,21,27)(H,22,26)